SCHEMBL8048934

SCHEMBL8048934

CCCCCOC(C)CCCC=Cc1ccc2nc(-c3ccc(O)c(F)c3)cnc2c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.35
ESR2 Q92731 6/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.32
APP P05067 9/20 0.31
FAAH O00519 1/20 0.30
CNR1 P21554 1/20 0.30
MGLL Q99685 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8048931 1.00 ESR1 (0.35) ESR1ESR2KDM4ENPC1ALDH1A1
SCHEMBL8046898 0.89 ESR1 (0.37) ESR1ESR2MAPTAPPFAAH
SCHEMBL8046904 0.89 ESR1 (0.37) ESR1ESR2MAPTAPPFAAH
SCHEMBL8051047 0.89 NPC1 (0.39) ESR1ESR2KDM4ENPC1ALDH1A1
SCHEMBL8051052 0.89 NPC1 (0.39) ESR1ESR2KDM4ENPC1ALDH1A1
SCHEMBL8054635 0.88 APP (0.32) APP
SCHEMBL8054637 0.88 APP (0.32) APP
SCHEMBL8047924 0.88 KDM4E (0.33) KDM4ENPC1ALDH1A1MAPTHPGD
SCHEMBL8047928 0.88 KDM4E (0.33) KDM4ENPC1ALDH1A1MAPTHPGD
SCHEMBL8049617 0.87 MGLL (0.33) ESR1ESR2FAAHCNR1MGLL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0643119-B1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL CO (JP) 2000-04-26 EP disclosed
US-6030546-A FERROELECTRIC PHASE; LOW VISCOSITY;, THERMOSENSITIVITY OVER A BROAD AND EXHIBITS A LARGE TILT ANGLE AND A HIGH-SPEED RESPONSE PROPERTY;CHEMICAL INTERMEDIATES FOR PESTICIDES, DRUGS AND LIQUID CRYSTALS; BORIDING AND HYDROLYSIS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-29 US disclosed
US-5707547-A CONTAINING FLUORINATED BENZENE OR NAPHTHALENE RINGS AND/OR NITROGEN CONTAINING HETEROCYCLES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-01-13 US disclosed
EP-0643119-A1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-03-15 EP disclosed